#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a8k s VAL 3 N 0.00 0.93 0.14 3.44 1.01 -1.26 -4.38 120.40 120.28 3a8k s VAL 3 Ca 0.00 -2.42 -0.34 0.00 0.00 0.00 0.00 61.98 59.22 3a8k s VAL 3 Cb 0.00 -1.65 -0.16 0.00 0.00 0.00 0.00 36.38 34.57 3a8k s VAL 3 CO 0.00 -0.99 1.19 -2.65 0.00 0.00 0.00 175.10 172.65 3a8k n PRO 4 N 3.49 1.09 -0.29 2.72 -0.02 -1.26 -4.85 135.00 135.87 3a8k n PRO 4 Ca 0.14 0.39 0.10 0.00 -2.02 0.00 0.00 63.50 62.11 3a8k n PRO 4 Cb 0.37 -1.91 0.26 0.00 -0.02 0.00 0.00 33.50 32.20 3a8k n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a8k h ALA 5 N 3.61 1.30 -0.00 3.55 0.00 -2.00 -3.21 119.26 122.50 3a8k h ALA 5 Ca -0.44 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3a8k h ALA 5 Cb 1.35 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3a8k h ALA 5 CO 0.71 -0.28 -0.53 -0.85 0.00 0.00 0.00 179.25 178.31 3a8k n GLU 6 N -5.03 0.34 -1.91 0.00 0.00 -1.26 -4.28 120.64 108.51 3a8k n GLU 6 Ca 0.19 -0.23 -0.30 0.00 0.00 0.00 0.00 57.16 56.82 3a8k n GLU 6 Cb 0.56 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.53 3a8k n GLU 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3a8k s LEU 7 N -2.81 3.10 0.23 -1.84 1.43 -1.21 -4.97 118.68 112.61 3a8k s LEU 7 Ca 0.15 1.27 0.05 0.00 -1.03 0.00 0.00 54.13 54.57 3a8k s LEU 7 Cb 0.18 -4.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.16 3a8k s LEU 7 CO 0.67 -1.06 0.29 -0.54 0.23 0.00 0.00 176.35 175.93 3a8k s LYS 8 N -5.24 3.25 0.03 1.70 -0.14 -0.90 -3.82 119.74 114.62 3a8k s LYS 8 Ca 0.56 -0.84 -0.01 0.00 -1.36 0.00 0.00 55.97 54.33 3a8k s LYS 8 Cb -0.11 -2.78 -0.02 0.00 -1.68 0.00 0.00 37.83 33.23 3a8k s LYS 8 CO 0.53 0.44 -0.02 0.71 -0.76 0.00 0.00 175.35 176.24 3a8k s TYR 9 N -1.98 0.32 0.16 3.18 2.02 0.95 -0.71 117.35 121.30 3a8k s TYR 9 Ca 0.33 -0.67 0.10 0.00 -0.37 0.00 0.00 57.07 56.46 3a8k s TYR 9 Cb -0.09 -0.24 -0.04 0.00 -0.40 0.00 0.00 41.96 41.19 3a8k s TYR 9 CO 0.27 -0.25 -0.16 0.45 -1.57 0.00 0.00 175.55 174.29 3a8k s SER 10 N -1.89 3.92 0.31 2.29 0.15 -0.31 -0.36 113.70 117.81 3a8k s SER 10 Ca -0.09 -0.65 0.21 0.00 0.70 0.00 0.00 55.95 56.13 3a8k s SER 10 Cb -0.05 -0.54 1.12 0.00 -1.71 0.00 0.00 66.02 64.85 3a8k s SER 10 CO -0.04 0.13 1.65 0.29 1.20 0.00 0.00 173.24 176.48 3a8k n LYS 11 N 0.35 0.14 -0.01 5.44 5.02 -1.26 -1.52 118.16 126.32 3a8k n LYS 11 Ca -0.13 0.61 0.11 0.00 -2.02 0.00 0.00 58.31 56.88 3a8k n LYS 11 Cb 0.55 -1.94 0.58 0.00 -0.02 0.00 0.00 35.03 34.19 3a8k n LYS 11 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3a8k n GLU 12 N -2.24 1.17 -3.30 1.97 -0.58 -1.26 -4.89 120.64 111.51 3a8k n GLU 12 Ca -0.01 -0.25 -0.16 0.00 -0.42 0.00 0.00 57.16 56.32 3a8k n GLU 12 Cb 0.06 -1.35 0.08 0.00 -0.57 0.00 0.00 31.44 29.66 3a8k n GLU 12 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3a8k n HIS 13 N -0.57 -2.11 -4.39 -0.32 8.25 -0.58 -4.97 115.22 110.53 3a8k n HIS 13 Ca 0.16 0.87 -0.22 0.00 -0.26 0.00 0.00 57.72 58.26 3a8k n HIS 13 Cb 0.14 -4.72 -0.11 0.00 1.12 0.00 0.00 29.99 26.42 3a8k n HIS 13 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3a8k s GLU 14 N -5.07 1.46 0.23 -0.41 2.02 -1.23 -2.23 118.70 113.47 3a8k s GLU 14 Ca 0.09 -1.59 0.11 0.00 0.02 0.00 0.00 54.97 53.61 3a8k s GLU 14 Cb -0.01 -1.50 -0.05 0.00 0.10 0.00 0.00 34.13 32.67 3a8k s GLU 14 CO 0.69 0.29 -0.21 1.67 0.02 0.00 0.00 175.26 177.72 3a8k s TRP 15 N -2.36 2.33 -0.07 1.61 1.48 -0.89 -1.16 118.94 119.89 3a8k s TRP 15 Ca 0.23 -0.33 -0.00 0.00 -1.06 0.00 0.00 56.10 54.93 3a8k s TRP 15 Cb -0.05 -1.09 0.02 0.00 -1.16 0.00 0.00 33.47 31.20 3a8k s TRP 15 CO 0.10 0.60 -0.03 -0.51 -4.06 0.00 0.00 176.95 173.04 3a8k s LEU 16 N -3.06 1.03 -0.27 -4.66 2.01 0.12 -2.94 118.68 110.90 3a8k s LEU 16 Ca 0.25 -0.15 -0.05 0.00 0.01 0.00 0.00 54.13 54.19 3a8k s LEU 16 Cb -0.07 -0.52 0.01 0.00 0.01 0.00 0.00 46.19 45.62 3a8k s LEU 16 CO 0.13 -0.12 0.03 -0.60 1.01 0.00 0.00 176.35 176.81 3a8k s ARG 17 N 1.45 3.13 0.02 1.70 3.52 -0.39 -2.11 118.95 126.26 3a8k s ARG 17 Ca -0.02 -0.81 -0.30 0.00 -0.13 0.00 0.00 55.73 54.46 3a8k s ARG 17 Cb -0.13 -3.24 -0.07 0.00 -1.56 0.00 0.00 34.95 29.95 3a8k s ARG 17 CO -0.03 -0.38 1.63 0.21 -0.81 0.00 0.00 175.30 175.92 3a8k s LYS 18 N 1.47 4.20 0.70 5.12 2.20 -1.26 -1.53 119.74 130.64 3a8k s LYS 18 Ca 0.03 2.24 -0.02 0.00 -0.36 0.00 0.00 55.97 57.86 3a8k s LYS 18 Cb -0.16 -3.74 0.10 0.00 -1.51 0.00 0.00 37.83 32.51 3a8k s LYS 18 CO 0.00 -0.76 0.97 -1.21 -0.36 0.00 0.00 175.35 174.00 3a8k s GLU 19 N 3.14 1.89 0.16 4.03 0.41 0.19 -4.96 118.70 123.56 3a8k s GLU 19 Ca 0.73 -0.85 -0.15 0.00 -0.41 0.00 0.00 54.97 54.29 3a8k s GLU 19 Cb -0.37 -2.31 0.05 0.00 -1.78 0.00 0.00 34.13 29.73 3a8k s GLU 19 CO 0.31 -1.31 1.82 0.00 -0.49 0.00 0.00 175.26 175.59 3a8k h ALA 20 N -0.48 0.59 0.00 5.21 0.00 -1.95 -2.93 119.26 119.71 3a8k h ALA 20 Ca -0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3a8k h ALA 20 Cb 1.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3a8k h ALA 20 CO 0.46 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.31 3a8k n ASP 21 N -4.79 2.67 0.00 0.00 3.85 -1.26 -4.83 116.55 112.19 3a8k n ASP 21 Ca 0.02 -1.90 0.00 0.00 -0.71 0.00 0.00 54.79 52.20 3a8k n ASP 21 Cb 0.04 -0.48 0.00 0.00 -1.35 0.00 0.00 41.12 39.34 3a8k n ASP 21 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3a8k n GLY 22 N 0.48 2.10 3.71 6.12 0.00 -1.10 -5.00 105.19 111.49 3a8k n GLY 22 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3a8k n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a8k s THR 23 N -0.65 2.06 -0.13 2.61 -4.23 -1.26 -4.66 115.64 109.38 3a8k s THR 23 Ca 0.00 0.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.56 3a8k s THR 23 Cb 0.00 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 71.26 3a8k s THR 23 CO 0.00 -0.03 -0.22 -0.31 -0.54 0.00 0.00 174.62 173.53 3a8k s TYR 24 N -3.06 2.66 0.02 3.99 2.02 0.15 0.56 117.35 123.69 3a8k s TYR 24 Ca 0.65 -1.26 -0.26 0.00 -0.37 0.00 0.00 57.07 55.83 3a8k s TYR 24 Cb -0.17 -1.80 -0.05 0.00 -0.40 0.00 0.00 41.96 39.54 3a8k s TYR 24 CO 0.56 -0.56 0.80 0.99 -1.57 0.00 0.00 175.55 175.77 3a8k s THR 25 N 0.72 4.79 -0.00 -0.71 2.01 -0.58 0.60 115.64 122.46 3a8k s THR 25 Ca -0.09 1.70 0.07 0.00 0.31 0.00 0.00 61.69 63.68 3a8k s THR 25 Cb -0.16 -4.15 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 3a8k s THR 25 CO 0.00 0.31 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.32 3a8k s VAL 26 N 0.26 1.87 0.00 3.82 1.01 0.43 -1.27 120.40 126.51 3a8k s VAL 26 Ca 0.41 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.32 3a8k s VAL 26 Cb -0.20 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.62 3a8k s VAL 26 CO 0.23 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.42 3a8k n GLY 27 N 2.35 3.14 3.80 4.51 0.00 -1.15 -0.11 105.19 117.73 3a8k n GLY 27 Ca -0.16 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 3a8k n GLY 27 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a8k s ILE 28 N -2.71 3.98 0.72 -0.61 -4.36 -1.26 -2.10 121.20 114.86 3a8k s ILE 28 Ca 0.00 -1.48 -0.10 0.00 -0.26 0.00 0.00 60.65 58.81 3a8k s ILE 28 Cb 0.00 -3.25 0.05 0.00 1.25 0.00 0.00 42.46 40.51 3a8k s ILE 28 CO 0.00 -0.30 1.07 0.42 0.24 0.00 0.00 174.94 176.38 3a8k s THR 29 N -2.22 2.74 0.20 8.37 -4.23 -0.95 -4.66 115.64 114.89 3a8k s THR 29 Ca 0.35 0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.82 3a8k s THR 29 Cb -0.07 -3.21 0.13 0.00 1.34 0.00 0.00 72.50 70.70 3a8k s THR 29 CO 0.25 -0.25 1.71 -0.08 -0.54 0.00 0.00 174.62 175.70 3a8k h GLU 30 N -0.70 0.23 -0.32 3.99 4.57 -1.92 -0.54 114.58 119.88 3a8k h GLU 30 Ca -0.45 -0.01 0.07 0.00 -1.18 0.00 0.00 59.36 57.79 3a8k h GLU 30 Cb 1.29 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 29.76 3a8k h GLU 30 CO 0.63 0.16 -0.18 1.25 -1.18 0.00 0.00 179.01 179.69 3a8k h HIS 31 N 0.24 -0.45 -0.59 0.92 2.76 -1.93 -2.10 115.15 114.01 3a8k h HIS 31 Ca 0.28 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.41 3a8k h HIS 31 Cb 0.39 0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 3a8k h HIS 31 CO -0.24 -0.25 0.05 0.00 -1.30 0.00 0.00 177.93 176.18 3a8k h ALA 32 N 1.08 0.97 0.00 5.26 0.00 -1.48 -2.46 119.26 122.64 3a8k h ALA 32 Ca 0.17 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3a8k h ALA 32 Cb 0.39 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3a8k h ALA 32 CO -0.41 0.63 -0.42 -0.56 0.00 0.00 0.00 179.25 178.49 3a8k h GLN 33 N 0.92 0.00 -0.26 0.00 -0.00 -0.89 -1.45 115.11 113.42 3a8k h GLN 33 Ca 0.18 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.77 3a8k h GLN 33 Cb 0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.94 3a8k h GLN 33 CO 0.02 0.42 -0.07 1.49 -0.00 0.00 0.00 178.83 180.70 3a8k h GLU 34 N 0.00 0.51 -0.73 0.06 4.57 -0.95 -0.99 114.58 117.05 3a8k h GLU 34 Ca -0.00 -0.20 -0.06 0.00 -1.18 0.00 0.00 59.36 57.92 3a8k h GLU 34 Cb 0.85 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.38 3a8k h GLU 34 CO 0.06 0.72 0.21 -0.07 -1.18 0.00 0.00 179.01 178.75 3a8k h LEU 35 N 0.26 1.07 -0.45 1.64 3.38 -1.26 -3.03 115.31 116.93 3a8k h LEU 35 Ca 0.07 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3a8k h LEU 35 Cb 0.54 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3a8k h LEU 35 CO 0.03 1.00 0.09 0.25 0.09 0.00 0.00 178.44 179.90 3a8k h LEU 36 N 1.08 0.69 0.00 1.67 7.12 -1.13 -3.50 115.31 121.25 3a8k h LEU 36 Ca 0.23 -0.25 0.00 0.00 0.13 0.00 0.00 57.88 58.00 3a8k h LEU 36 Cb 0.32 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.27 3a8k h LEU 36 CO -0.00 0.76 0.00 0.61 -0.13 0.00 0.00 178.44 179.68 3a8k n GLY 37 N -0.55 -2.39 3.67 3.75 0.00 -0.39 -4.77 105.19 104.50 3a8k n GLY 37 Ca 0.00 -1.59 -0.49 0.00 0.00 0.00 0.00 46.02 43.95 3a8k n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a8k n ASP 38 N -0.25 2.95 -4.77 1.61 8.00 -1.26 -4.87 116.55 117.96 3a8k n ASP 38 Ca 0.00 1.05 -0.39 0.00 0.71 0.00 0.00 54.79 56.16 3a8k n ASP 38 Cb 0.00 -1.35 -0.06 0.00 -0.02 0.00 0.00 41.12 39.69 3a8k n ASP 38 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3a8k s MET 39 N 2.16 4.35 0.00 -1.24 -1.94 -1.26 -3.51 119.30 117.86 3a8k s MET 39 Ca 0.86 0.85 0.00 0.00 -1.71 0.00 0.00 55.69 55.69 3a8k s MET 39 Cb -0.76 -3.31 0.00 0.00 2.01 0.00 0.00 34.83 32.77 3a8k s MET 39 CO 0.46 0.44 0.00 1.33 -0.01 0.00 0.00 175.02 177.24 3a8k n VAL 40 N 2.37 0.00 -3.63 -6.03 0.24 0.17 -3.74 118.33 107.70 3a8k n VAL 40 Ca -0.07 -0.08 -0.13 0.00 -2.04 0.00 0.00 64.34 62.02 3a8k n VAL 40 Cb 0.50 0.55 -0.07 0.00 -1.47 0.00 0.00 33.84 33.36 3a8k n VAL 40 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3a8k s PHE 41 N -1.61 -0.72 -0.12 6.34 5.36 -1.09 -4.83 117.98 121.30 3a8k s PHE 41 Ca 0.00 1.74 0.01 0.00 -0.96 0.00 0.00 56.93 57.72 3a8k s PHE 41 Cb 0.00 0.29 0.02 0.00 -0.34 0.00 0.00 43.02 42.99 3a8k s PHE 41 CO 0.00 -0.36 -0.14 0.08 -1.46 0.00 0.00 175.22 173.34 3a8k s VAL 42 N 0.27 1.42 -0.86 3.12 1.01 -1.26 0.08 120.40 124.18 3a8k s VAL 42 Ca 0.00 -0.57 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 3a8k s VAL 42 Cb -0.05 -1.33 0.11 0.00 0.00 0.00 0.00 36.38 35.11 3a8k s VAL 42 CO 0.00 0.43 1.10 -0.62 0.00 0.00 0.00 175.10 176.01 3a8k s ASP 43 N 1.23 6.51 0.75 3.32 -1.08 -0.25 -4.90 116.67 122.25 3a8k s ASP 43 Ca -0.02 -1.76 -0.14 0.00 -0.52 0.00 0.00 52.55 50.12 3a8k s ASP 43 Cb -0.14 -2.41 0.05 0.00 -1.46 0.00 0.00 42.92 38.96 3a8k s ASP 43 CO -0.05 -1.18 1.19 -0.76 0.52 0.00 0.00 175.17 174.89 3a8k s LEU 44 N 3.13 3.24 0.73 -1.34 1.43 -1.26 -2.31 118.68 122.29 3a8k s LEU 44 Ca 0.30 2.28 -0.11 0.00 -1.03 0.00 0.00 54.13 55.58 3a8k s LEU 44 Cb -0.08 -4.58 0.03 0.00 0.03 0.00 0.00 46.19 41.59 3a8k s LEU 44 CO -0.05 -2.33 1.07 -2.16 0.23 0.00 0.00 176.35 173.12 3a8k s PRO 45 N -4.07 2.64 -0.12 1.29 0.05 -1.25 -4.88 135.00 128.66 3a8k s PRO 45 Ca 0.72 1.02 -0.30 0.00 0.05 0.00 0.00 61.00 62.50 3a8k s PRO 45 Cb -0.27 -1.95 -0.01 0.00 0.05 0.00 0.00 34.50 32.32 3a8k s PRO 45 CO 0.47 -1.33 1.07 -1.21 0.05 0.00 0.00 177.00 176.05 3a8k s GLU 46 N -4.99 4.37 0.18 4.56 2.02 -1.26 -4.84 118.70 118.73 3a8k s GLU 46 Ca 0.59 1.47 -0.33 0.00 0.02 0.00 0.00 54.97 56.72 3a8k s GLU 46 Cb -0.15 -3.57 -0.14 0.00 0.10 0.00 0.00 34.13 30.36 3a8k s GLU 46 CO 0.55 -0.42 1.43 0.28 0.02 0.00 0.00 175.26 177.13 3a8k n VAL 47 N 4.74 0.44 0.00 2.63 0.31 -1.26 -2.00 118.33 123.19 3a8k n VAL 47 Ca 0.10 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3a8k n VAL 47 Cb 0.47 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 3a8k n VAL 47 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a8k n GLY 48 N 2.67 3.12 3.77 2.92 0.00 0.35 -5.02 105.19 113.00 3a8k n GLY 48 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3a8k n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a8k s ALA 49 N -2.69 2.71 -0.04 4.61 0.00 -0.85 -4.70 121.76 120.80 3a8k s ALA 49 Ca 0.00 0.91 -0.02 0.00 0.00 0.00 0.00 51.96 52.84 3a8k s ALA 49 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 3a8k s ALA 49 CO 0.00 -0.87 0.10 0.99 0.00 0.00 0.00 175.76 175.98 3a8k s THR 50 N -1.67 4.94 0.05 0.00 2.01 -1.26 -1.78 115.64 117.94 3a8k s THR 50 Ca 0.72 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.51 3a8k s THR 50 Cb -0.27 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 3a8k s THR 50 CO 0.30 0.44 -0.04 0.68 -0.69 0.00 0.00 174.62 175.31 3a8k s VAL 51 N -1.14 0.34 0.00 3.82 -7.23 -0.53 -5.01 120.40 110.66 3a8k s VAL 51 Ca 0.21 -1.56 0.01 0.00 -1.81 0.00 0.00 61.98 58.83 3a8k s VAL 51 Cb -0.12 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 3a8k s VAL 51 CO 0.11 -0.79 0.03 -0.44 -0.31 0.00 0.00 175.10 173.69 3a8k s SER 52 N -2.47 5.28 0.13 4.85 0.01 -1.26 -1.77 113.70 118.47 3a8k s SER 52 Ca 0.01 0.03 -0.34 0.00 1.31 0.00 0.00 55.95 56.96 3a8k s SER 52 Cb 0.01 -1.42 -0.17 0.00 0.21 0.00 0.00 66.02 64.65 3a8k s SER 52 CO -0.06 0.27 0.96 0.00 0.41 0.00 0.00 173.24 174.83 3a8k n ALA 53 N 1.26 -2.20 0.00 1.44 0.00 -1.21 -0.79 120.51 119.00 3a8k n ALA 53 Ca -0.14 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3a8k n ALA 53 Cb 0.53 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3a8k n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a8k n GLY 54 N 1.84 1.30 3.78 0.00 0.00 0.28 -4.94 105.19 107.45 3a8k n GLY 54 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3a8k n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a8k s ASP 55 N -2.81 6.44 -0.74 1.61 1.11 0.03 -4.73 116.67 117.58 3a8k s ASP 55 Ca 0.00 2.95 -0.26 0.00 0.18 0.00 0.00 52.55 55.41 3a8k s ASP 55 Cb 0.00 -2.66 0.01 0.00 1.07 0.00 0.00 42.92 41.34 3a8k s ASP 55 CO 0.00 -0.80 1.53 -0.62 1.18 0.00 0.00 175.17 176.46 3a8k s ASP 56 N -0.26 5.84 0.00 0.27 -1.08 -1.26 -1.46 116.67 118.72 3a8k s ASP 56 Ca 0.52 -0.30 0.06 0.00 -0.52 0.00 0.00 52.55 52.30 3a8k s ASP 56 Cb -0.44 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.43 3a8k s ASP 56 CO 0.60 -2.04 0.33 0.00 0.52 0.00 0.00 175.17 174.58 3a8k s ALA 58 N -1.32 -1.48 -0.07 0.00 0.00 -1.18 -3.84 121.76 113.87 3a8k s ALA 58 Ca 0.03 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.02 3a8k s ALA 58 Cb 0.04 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.92 3a8k s ALA 58 CO 0.20 -1.00 -0.08 0.08 0.00 0.00 0.00 175.76 174.96 3a8k s VAL 59 N -3.57 0.87 -0.27 0.00 1.01 -0.98 -0.71 120.40 116.75 3a8k s VAL 59 Ca 0.11 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 3a8k s VAL 59 Cb -0.03 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 3a8k s VAL 59 CO 0.03 0.32 0.17 0.00 0.00 0.00 0.00 175.10 175.61 3a8k s ALA 60 N 1.16 3.49 -0.25 5.51 0.00 0.98 -1.09 121.76 131.56 3a8k s ALA 60 Ca -0.06 -1.08 -0.09 0.00 0.00 0.00 0.00 51.96 50.72 3a8k s ALA 60 Cb -0.14 -2.42 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 3a8k s ALA 60 CO -0.02 -0.52 0.14 -1.21 0.00 0.00 0.00 175.76 174.15 3a8k s GLU 61 N 1.69 3.90 0.57 0.00 2.02 0.11 0.79 118.70 127.79 3a8k s GLU 61 Ca 0.07 -0.35 0.10 0.00 0.02 0.00 0.00 54.97 54.80 3a8k s GLU 61 Cb -0.16 -3.49 0.08 0.00 0.10 0.00 0.00 34.13 30.67 3a8k s GLU 61 CO 0.10 -0.08 0.78 -1.54 0.02 0.00 0.00 175.26 174.54 3a8k s SER 62 N 1.40 5.11 0.00 -0.19 1.04 -1.26 -0.66 113.70 119.14 3a8k s SER 62 Ca 0.06 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.65 3a8k s SER 62 Cb -0.15 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.25 3a8k s SER 62 CO 0.06 -1.33 0.00 0.52 0.98 0.00 0.00 173.24 173.48 3a8k n VAL 63 N -2.23 0.00 -1.40 5.02 0.31 -1.23 -4.72 118.33 114.09 3a8k n VAL 63 Ca 0.15 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.17 3a8k n VAL 63 Cb 0.62 -0.08 0.07 0.00 -0.91 0.00 0.00 33.84 33.54 3a8k n VAL 63 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a8k s ALA 65 N -0.84 2.41 0.01 3.52 0.00 -1.26 -5.16 121.76 120.44 3a8k s ALA 65 Ca 0.00 0.22 -0.17 0.00 0.00 0.00 0.00 51.96 52.01 3a8k s ALA 65 Cb 0.00 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 3a8k s ALA 65 CO 0.00 -1.55 0.48 0.00 0.00 0.00 0.00 175.76 174.70 3a8k s ALA 66 N -2.92 3.62 0.00 0.00 0.00 -1.26 -4.41 121.76 116.79 3a8k s ALA 66 Ca 0.60 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.46 3a8k s ALA 66 Cb -0.16 -2.53 -0.00 0.00 0.00 0.00 0.00 23.12 20.43 3a8k s ALA 66 CO 0.55 0.37 -0.02 -1.54 0.00 0.00 0.00 175.76 175.12 3a8k s SER 67 N -0.81 0.24 0.19 0.00 1.04 0.24 -4.97 113.70 109.61 3a8k s SER 67 Ca 0.26 -0.08 -0.28 0.00 0.48 0.00 0.00 55.95 56.34 3a8k s SER 67 Cb -0.18 -0.02 -0.08 0.00 0.10 0.00 0.00 66.02 65.85 3a8k s SER 67 CO 0.15 -0.00 0.88 -1.81 0.98 0.00 0.00 173.24 173.44 3a8k s ASP 68 N -0.17 7.52 -0.22 7.02 1.01 -1.26 -0.01 116.67 130.55 3a8k s ASP 68 Ca -0.01 1.80 -0.07 0.00 0.71 0.00 0.00 52.55 54.98 3a8k s ASP 68 Cb -0.02 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 3a8k s ASP 68 CO -0.00 0.14 0.07 -0.63 0.21 0.00 0.00 175.17 174.96 3a8k s ILE 69 N -0.95 4.57 -0.01 0.77 1.01 0.12 -4.87 121.20 121.84 3a8k s ILE 69 Ca 0.40 -0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.91 3a8k s ILE 69 Cb -0.24 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 3a8k s ILE 69 CO 0.29 0.39 0.21 -0.31 0.00 0.00 0.00 174.94 175.52 3a8k s TYR 70 N 1.05 3.57 -0.03 3.97 2.02 -1.26 -1.36 117.35 125.29 3a8k s TYR 70 Ca 0.04 0.46 -0.30 0.00 -0.37 0.00 0.00 57.07 56.91 3a8k s TYR 70 Cb -0.14 -1.90 -0.07 0.00 -0.40 0.00 0.00 41.96 39.44 3a8k s TYR 70 CO 0.03 0.64 1.89 0.00 -1.57 0.00 0.00 175.55 176.54 3a8k s ALA 71 N -1.29 3.48 -0.61 3.71 0.00 -0.53 -4.88 121.76 121.64 3a8k s ALA 71 Ca 0.26 1.10 0.25 0.00 0.00 0.00 0.00 51.96 53.58 3a8k s ALA 71 Cb -0.13 -3.85 0.68 0.00 0.00 0.00 0.00 23.12 19.83 3a8k s ALA 71 CO 0.16 -1.69 1.73 -1.00 0.00 0.00 0.00 175.76 174.96 3a8k h PRO 72 N 10.82 0.00 -4.42 0.00 0.13 -1.92 0.80 132.00 137.41 3a8k h PRO 72 Ca -0.45 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.47 3a8k h PRO 72 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 3a8k h PRO 72 CO 0.95 0.00 -0.54 0.14 -0.23 0.00 0.00 178.00 178.32 3a8k s VAL 73 N -3.16 0.00 0.35 1.56 -7.23 -1.26 -4.86 120.40 105.80 3a8k s VAL 73 Ca 0.09 -1.89 -0.11 0.00 -1.81 0.00 0.00 61.98 58.26 3a8k s VAL 73 Cb 0.10 -2.43 -0.07 0.00 0.56 0.00 0.00 36.38 34.54 3a8k s VAL 73 CO 0.61 -0.02 0.71 -0.44 -0.31 0.00 0.00 175.10 175.64 3a8k s SER 74 N -3.13 6.59 0.00 4.85 0.01 -1.26 -3.36 113.70 117.40 3a8k s SER 74 Ca 0.35 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.71 3a8k s SER 74 Cb 0.06 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.99 3a8k s SER 74 CO 0.11 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.09 3a8k n GLY 75 N -0.87 0.06 3.28 3.44 0.00 -0.73 -1.57 105.19 108.81 3a8k n GLY 75 Ca 0.02 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 3a8k n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a8k s GLU 76 N -2.00 2.91 -0.50 1.61 2.12 -0.56 -1.45 118.70 120.83 3a8k s GLU 76 Ca 0.00 -0.84 -0.28 0.00 0.36 0.00 0.00 54.97 54.21 3a8k s GLU 76 Cb 0.00 -2.32 0.01 0.00 0.26 0.00 0.00 34.13 32.08 3a8k s GLU 76 CO 0.00 0.28 1.37 0.42 -0.54 0.00 0.00 175.26 176.80 3a8k s ILE 77 N 0.10 3.89 -0.84 -3.70 -1.09 -0.73 -0.13 121.20 118.70 3a8k s ILE 77 Ca -0.10 0.84 0.22 0.00 -2.23 0.00 0.00 60.65 59.38 3a8k s ILE 77 Cb -0.16 -4.38 -0.18 0.00 -1.58 0.00 0.00 42.46 36.17 3a8k s ILE 77 CO 0.06 -1.00 0.98 1.33 -1.23 0.00 0.00 174.94 175.07 3a8k n VAL 78 N 6.94 0.03 -3.59 2.92 0.24 -0.64 0.13 118.33 124.36 3a8k n VAL 78 Ca 0.14 -0.09 -0.14 0.00 -2.04 0.00 0.00 64.34 62.20 3a8k n VAL 78 Cb 0.49 0.62 -0.06 0.00 -1.47 0.00 0.00 33.84 33.41 3a8k n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a8k s ALA 79 N -3.09 -1.83 0.31 2.33 0.00 -1.22 -4.79 121.76 113.48 3a8k s ALA 79 Ca 0.06 1.71 0.09 0.00 0.00 0.00 0.00 51.96 53.82 3a8k s ALA 79 Cb 0.16 -0.76 -0.06 0.00 0.00 0.00 0.00 23.12 22.46 3a8k s ALA 79 CO 0.83 -0.33 -0.09 0.14 0.00 0.00 0.00 175.76 176.31 3a8k s VAL 80 N -0.37 2.03 -0.72 0.00 -7.23 -1.26 0.51 120.40 113.36 3a8k s VAL 80 Ca -0.03 -2.19 -0.17 0.00 -1.81 0.00 0.00 61.98 57.77 3a8k s VAL 80 Cb -0.03 -2.54 0.14 0.00 0.56 0.00 0.00 36.38 34.51 3a8k s VAL 80 CO 0.03 -0.26 0.79 0.21 -0.31 0.00 0.00 175.10 175.56 3a8k s ASN 81 N -3.54 6.43 0.57 4.85 3.84 -0.44 -4.90 114.94 121.75 3a8k s ASN 81 Ca 0.31 -1.92 0.30 0.00 0.21 0.00 0.00 52.86 51.75 3a8k s ASN 81 Cb 0.02 -2.29 1.71 0.00 -0.55 0.00 0.00 41.25 40.15 3a8k s ASN 81 CO 0.15 -0.94 2.19 0.44 -2.79 0.00 0.00 177.10 176.15 3a8k h ASP 82 N 8.72 0.00 0.23 -4.21 3.32 -1.94 -2.07 116.42 120.46 3a8k h ASP 82 Ca -0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3a8k h ASP 82 Cb 1.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.61 3a8k h ASP 82 CO 1.00 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 178.57 3a8k n ALA 83 N -2.29 1.67 0.65 3.45 0.00 -1.26 -0.97 120.51 121.76 3a8k n ALA 83 Ca -0.02 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.49 3a8k n ALA 83 Cb 0.14 -1.18 0.23 0.00 0.00 0.00 0.00 19.45 18.65 3a8k n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a8k n LEU 84 N -1.31 0.66 0.11 0.00 4.77 -0.78 -0.93 117.00 119.52 3a8k n LEU 84 Ca 0.05 0.26 0.04 0.00 -0.03 0.00 0.00 56.01 56.34 3a8k n LEU 84 Cb 0.09 -0.22 0.46 0.00 -2.33 0.00 0.00 43.42 41.42 3a8k n LEU 84 CO 0.09 -0.05 1.03 0.28 -1.33 0.00 0.00 177.39 177.41 3a8k h SER 85 N 0.00 0.26 0.00 -1.43 0.02 -1.23 -3.02 113.55 108.15 3a8k h SER 85 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3a8k h SER 85 Cb 0.70 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.18 3a8k h SER 85 CO 0.00 0.28 -0.99 0.47 -1.14 0.00 0.00 176.83 175.45 3a8k n ASP 86 N -4.41 4.96 -3.03 3.07 9.92 -1.23 -4.76 116.55 121.07 3a8k n ASP 86 Ca 0.00 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.01 3a8k n ASP 86 Cb 0.15 0.84 -0.04 0.00 -0.64 0.00 0.00 41.12 41.43 3a8k n ASP 86 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3a8k n SER 87 N -1.64 3.71 0.30 -2.24 7.64 -0.10 -4.91 113.62 116.38 3a8k n SER 87 Ca 0.00 -3.53 0.18 0.00 1.01 0.00 0.00 58.87 56.53 3a8k n SER 87 Cb 0.15 -0.58 0.95 0.00 -1.01 0.00 0.00 64.21 63.71 3a8k n SER 87 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3a8k h PRO 88 N 3.10 0.00 0.00 1.43 0.13 -1.72 -2.38 132.00 132.56 3a8k h PRO 88 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3a8k h PRO 88 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 3a8k h PRO 88 CO 0.76 0.03 0.13 1.05 -0.23 0.00 0.00 178.00 179.74 3a8k h GLU 89 N 0.00 0.00 0.00 0.86 9.09 -1.90 -2.48 114.58 120.15 3a8k h GLU 89 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 3a8k h GLU 89 Cb 0.19 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.29 3a8k h GLU 89 CO 0.00 0.00 -0.03 -0.07 0.05 0.00 0.00 179.01 178.97 3a8k h LEU 90 N 0.00 0.00 -1.27 3.06 3.38 -1.78 -0.42 115.31 118.28 3a8k h LEU 90 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3a8k h LEU 90 Cb 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3a8k h LEU 90 CO 0.00 0.03 0.50 0.58 0.09 0.00 0.00 178.44 179.64 3a8k h VAL 91 N 0.00 1.19 0.07 1.22 2.07 -1.67 0.33 116.25 119.46 3a8k h VAL 91 Ca -0.00 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 3a8k h VAL 91 Cb 0.06 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3a8k h VAL 91 CO 0.00 0.18 -0.39 0.78 0.02 0.00 0.00 177.57 178.17 3a8k h ASN 92 N 1.01 0.23 0.93 0.57 4.21 -1.50 -2.94 115.58 118.09 3a8k h ASN 92 Ca 0.28 -0.97 -0.20 0.00 1.21 0.00 0.00 56.30 56.62 3a8k h ASN 92 Cb -0.10 -0.07 -0.03 0.00 -1.12 0.00 0.00 38.32 36.99 3a8k h ASN 92 CO -0.06 1.18 -0.95 0.77 -1.29 0.00 0.00 177.43 177.07 3a8k h SER 93 N -0.68 0.02 -1.72 5.81 4.64 -0.93 -3.38 113.55 117.31 3a8k h SER 93 Ca -0.07 -0.02 -0.46 0.00 -0.47 0.00 0.00 61.79 60.77 3a8k h SER 93 Cb 1.30 -0.01 -0.36 0.00 -0.31 0.00 0.00 62.40 63.02 3a8k h SER 93 CO 0.07 0.96 -1.08 -0.62 -0.87 0.00 0.00 176.83 175.29 3a8k n GLU 94 N -3.42 0.93 0.18 4.77 1.02 0.11 -4.97 120.64 119.26 3a8k n GLU 94 Ca -0.01 -3.15 0.17 0.00 -0.02 0.00 0.00 57.16 54.16 3a8k n GLU 94 Cb 0.90 -1.55 0.80 0.00 -0.02 0.00 0.00 31.44 31.56 3a8k n GLU 94 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3a8k h PRO 95 N 3.18 0.00 -0.15 3.49 0.13 -1.51 0.44 132.00 137.58 3a8k h PRO 95 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3a8k h PRO 95 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3a8k h PRO 95 CO 0.45 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.88 3a8k n TYR 96 N -3.91 0.17 0.00 1.56 4.01 -1.26 -4.21 117.16 113.51 3a8k n TYR 96 Ca 0.03 -0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3a8k n TYR 96 Cb 0.36 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 3a8k n TYR 96 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3a8k n ALA 97 N 1.17 0.00 0.28 -0.72 0.00 -0.73 -4.89 120.51 115.62 3a8k n ALA 97 Ca 0.14 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.74 3a8k n ALA 97 Cb 0.51 0.00 0.88 0.00 0.00 0.00 0.00 19.45 20.85 3a8k n ALA 97 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3a8k h GLY 98 N 0.00 0.00 -0.07 0.00 0.00 -1.86 -2.12 103.07 99.02 3a8k h GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a8k h GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3a8k n GLY 99 N -1.19 -0.37 3.56 4.60 0.00 0.15 -4.81 105.19 107.14 3a8k n GLY 99 Ca -0.02 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 3a8k n GLY 99 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3a8k n TRP 100 N -0.25 0.21 -0.06 1.61 4.27 -0.80 -4.49 117.44 117.93 3a8k n TRP 100 Ca 0.16 0.41 -0.14 0.00 -3.89 0.00 0.00 57.50 54.04 3a8k n TRP 100 Cb 0.21 -2.05 -0.05 0.00 -1.36 0.00 0.00 31.31 28.06 3a8k n TRP 100 CO 0.00 0.00 0.00 -0.89 -2.29 0.00 0.00 177.69 174.51 3a8k n ILE 101 N -2.06 0.89 -3.97 -1.67 5.41 0.84 -4.65 119.36 114.14 3a8k n ILE 101 Ca 0.13 -0.12 -0.10 0.00 1.00 0.00 0.00 62.75 63.66 3a8k n ILE 101 Cb 0.48 -1.75 -0.07 0.00 -0.71 0.00 0.00 39.64 37.60 3a8k n ILE 101 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 3a8k s PHE 102 N -2.30 0.42 -0.02 1.39 -0.71 -0.99 -1.33 117.98 114.44 3a8k s PHE 102 Ca -0.19 -0.78 0.07 0.00 -1.04 0.00 0.00 56.93 54.98 3a8k s PHE 102 Cb 0.07 -0.08 -0.02 0.00 -1.21 0.00 0.00 43.02 41.78 3a8k s PHE 102 CO 0.25 -0.71 -0.23 0.15 -1.34 0.00 0.00 175.22 173.34 3a8k s LYS 103 N -3.97 2.19 -0.01 1.99 1.02 0.18 -0.43 119.74 120.71 3a8k s LYS 103 Ca 0.18 -0.88 0.02 0.00 0.02 0.00 0.00 55.97 55.31 3a8k s LYS 103 Cb 0.03 -2.13 -0.00 0.00 -0.52 0.00 0.00 37.83 35.21 3a8k s LYS 103 CO 0.00 0.57 -0.07 -1.50 -0.92 0.00 0.00 175.35 173.43 3a8k s ILE 104 N -0.66 0.60 -0.45 2.17 2.07 0.20 -1.63 121.20 123.50 3a8k s ILE 104 Ca 0.11 -0.31 -0.14 0.00 -1.41 0.00 0.00 60.65 58.89 3a8k s ILE 104 Cb -0.10 -0.52 0.06 0.00 0.13 0.00 0.00 42.46 42.03 3a8k s ILE 104 CO -0.00 0.18 0.35 -0.75 -1.91 0.00 0.00 174.94 172.81 3a8k s LYS 105 N -0.09 2.93 0.35 3.50 2.20 0.82 0.30 119.74 129.74 3a8k s LYS 105 Ca 0.02 -1.28 -0.27 0.00 -0.36 0.00 0.00 55.97 54.08 3a8k s LYS 105 Cb -0.04 -4.04 -0.09 0.00 -1.51 0.00 0.00 37.83 32.15 3a8k s LYS 105 CO -0.00 -0.94 1.12 0.00 -0.36 0.00 0.00 175.35 175.17 3a8k s ALA 106 N 1.62 3.25 -0.52 3.13 0.00 -1.26 -1.49 121.76 126.48 3a8k s ALA 106 Ca 0.04 0.89 0.11 0.00 0.00 0.00 0.00 51.96 53.00 3a8k s ALA 106 Cb -0.23 -3.34 -0.12 0.00 0.00 0.00 0.00 23.12 19.43 3a8k s ALA 106 CO 0.07 -0.33 0.47 -1.13 0.00 0.00 0.00 175.76 174.84 3a8k n SER 107 N 0.48 0.53 -3.88 0.00 3.41 -0.61 -4.92 113.62 108.63 3a8k n SER 107 Ca 0.02 -0.76 -0.29 0.00 -0.26 0.00 0.00 58.87 57.58 3a8k n SER 107 Cb 0.46 0.99 -0.16 0.00 -0.26 0.00 0.00 64.21 65.24 3a8k n SER 107 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a8k s ASP 108 N -2.02 3.08 0.27 4.04 -1.08 -1.26 -5.02 116.67 114.67 3a8k s ASP 108 Ca 0.04 -0.81 -0.02 0.00 -0.52 0.00 0.00 52.55 51.24 3a8k s ASP 108 Cb 0.08 -0.92 0.37 0.00 -1.46 0.00 0.00 42.92 40.99 3a8k s ASP 108 CO 0.45 -0.22 1.83 -0.33 0.52 0.00 0.00 175.17 177.42 3a8k h GLU 109 N 8.10 0.89 -0.68 4.34 4.39 -1.98 -2.94 114.58 126.69 3a8k h GLU 109 Ca -0.21 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.29 3a8k h GLU 109 Cb 1.10 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.58 3a8k h GLU 109 CO 0.39 0.77 0.31 0.66 -1.16 0.00 0.00 179.01 179.99 3a8k h SER 110 N 0.86 0.91 -0.26 1.42 4.64 -1.99 -2.21 113.55 116.92 3a8k h SER 110 Ca 0.19 -0.15 0.06 0.00 -0.47 0.00 0.00 61.79 61.43 3a8k h SER 110 Cb 0.26 -0.23 -0.08 0.00 -0.31 0.00 0.00 62.40 62.04 3a8k h SER 110 CO -0.01 0.80 -0.37 -0.33 -0.87 0.00 0.00 176.83 176.05 3a8k h GLU 111 N 0.95 -0.36 -1.03 4.77 5.08 -1.94 0.12 114.58 122.18 3a8k h GLU 111 Ca 0.23 0.02 0.26 0.00 -1.00 0.00 0.00 59.36 58.87 3a8k h GLU 111 Cb 0.15 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.37 3a8k h GLU 111 CO -0.03 -0.24 0.64 -0.07 -1.00 0.00 0.00 179.01 178.31 3a8k h LEU 112 N -0.37 0.56 -0.48 1.33 3.38 -1.45 0.17 115.31 118.45 3a8k h LEU 112 Ca 0.12 0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 3a8k h LEU 112 Cb 0.57 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3a8k h LEU 112 CO -0.46 0.10 -0.48 -0.33 0.09 0.00 0.00 178.44 177.36 3a8k h GLU 113 N 0.49 0.00 -0.00 1.13 5.08 -0.41 -3.17 114.58 117.69 3a8k h GLU 113 Ca 0.62 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.98 3a8k h GLU 113 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 3a8k h GLU 113 CO -0.38 0.48 -0.04 0.45 -1.00 0.00 0.00 179.01 178.52 3a8k n SER 114 N -3.39 0.37 -4.81 1.42 2.88 0.23 -4.92 113.62 105.40 3a8k n SER 114 Ca 0.01 -0.80 -0.34 0.00 -1.33 0.00 0.00 58.87 56.40 3a8k n SER 114 Cb 0.64 -0.07 -0.06 0.00 -0.75 0.00 0.00 64.21 63.97 3a8k n SER 114 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3a8k s LEU 115 N -2.24 4.01 0.20 2.46 1.43 -1.02 -5.01 118.68 118.51 3a8k s LEU 115 Ca 0.37 1.77 -0.30 0.00 -1.03 0.00 0.00 54.13 54.94 3a8k s LEU 115 Cb 0.21 -4.43 -0.08 0.00 0.03 0.00 0.00 46.19 41.92 3a8k s LEU 115 CO 0.41 -0.37 1.06 -0.76 0.23 0.00 0.00 176.35 176.92 3a8k s LEU 116 N -2.98 4.53 0.90 1.79 1.43 0.51 -4.80 118.68 120.06 3a8k s LEU 116 Ca 0.60 2.08 -0.14 0.00 -1.03 0.00 0.00 54.13 55.64 3a8k s LEU 116 Cb -0.12 -3.61 0.15 0.00 0.03 0.00 0.00 46.19 42.63 3a8k s LEU 116 CO 0.17 -0.13 1.25 1.51 0.23 0.00 0.00 176.35 179.38 3a8k s ASP 117 N -0.44 3.69 0.19 2.29 1.47 -1.26 -0.03 116.67 122.58 3a8k s ASP 117 Ca 0.47 0.54 -0.12 0.00 1.18 0.00 0.00 52.55 54.62 3a8k s ASP 117 Cb -0.29 -0.81 0.23 0.00 -0.34 0.00 0.00 42.92 41.71 3a8k s ASP 117 CO 0.35 -2.40 1.73 0.00 0.68 0.00 0.00 175.17 175.53 3a8k h ALA 118 N -1.40 0.64 -0.64 2.11 0.00 -1.74 -1.15 119.26 117.07 3a8k h ALA 118 Ca -0.45 0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.59 3a8k h ALA 118 Cb 1.28 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 3a8k h ALA 118 CO 0.51 -0.27 0.38 1.15 0.00 0.00 0.00 179.25 181.03 3a8k h THR 119 N 0.30 1.05 0.00 0.00 2.02 -1.93 -0.05 112.91 114.29 3a8k h THR 119 Ca 0.27 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 3a8k h THR 119 Cb 0.35 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3a8k h THR 119 CO -0.32 0.14 -0.25 0.00 0.37 0.00 0.00 175.52 175.45 3a8k h ALA 120 N 1.30 0.98 0.12 6.16 0.00 -1.84 -2.70 119.26 123.27 3a8k h ALA 120 Ca 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3a8k h ALA 120 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3a8k h ALA 120 CO -0.13 0.31 -0.06 -0.92 0.00 0.00 0.00 179.25 178.46 3a8k h TYR 121 N 0.00 -0.15 -1.20 0.00 3.20 -0.20 -2.45 116.97 116.18 3a8k h TYR 121 Ca -0.00 -0.00 0.37 0.00 3.14 0.00 0.00 58.73 62.24 3a8k h TYR 121 Cb 0.83 0.05 -0.12 0.00 1.54 0.00 0.00 36.73 39.03 3a8k h TYR 121 CO 0.00 0.34 0.76 0.93 -1.64 0.00 0.00 178.16 178.55 3a8k h GLU 122 N -0.76 0.19 0.00 1.82 5.08 -1.02 0.48 114.58 120.36 3a8k h GLU 122 Ca -0.02 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 3a8k h GLU 122 Cb 0.55 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3a8k h GLU 122 CO 0.03 0.12 -0.96 0.00 -1.00 0.00 0.00 179.01 177.20 3a8k h ALA 123 N 1.64 0.51 -0.64 3.43 0.00 -1.43 -0.52 119.26 122.25 3a8k h ALA 123 Ca 0.75 -0.84 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3a8k h ALA 123 Cb 2.16 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 3a8k h ALA 123 CO -0.41 1.09 0.04 1.25 0.00 0.00 0.00 179.25 181.21 3a8k h LEU 124 N 0.00 1.07 -0.85 0.00 5.85 -0.44 -2.76 115.31 118.18 3a8k h LEU 124 Ca -0.05 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 58.32 3a8k h LEU 124 Cb 1.67 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 3a8k h LEU 124 CO 0.10 1.10 0.14 -0.07 -0.34 0.00 0.00 178.44 179.36 3a8k h LEU 125 N 1.01 0.94 0.00 2.25 3.38 -1.29 -3.17 115.31 118.43 3a8k h LEU 125 Ca 0.18 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3a8k h LEU 125 Cb 0.53 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3a8k h LEU 125 CO 0.03 0.92 0.00 -0.62 0.09 0.00 0.00 178.44 178.85 3a8k n GLU 126 N -4.24 0.11 0.00 1.13 1.02 -0.21 -5.11 120.64 113.34 3a8k n GLU 126 Ca 0.05 0.07 0.16 0.00 -0.02 0.00 0.00 57.16 57.41 3a8k n GLU 126 Cb 0.25 -1.50 0.93 0.00 -0.02 0.00 0.00 31.44 31.10 3a8k n GLU 126 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06